2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine

C10H16F3NO2 — CID 106706463

IUPAC2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine
SMILESNC1(COCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-15-5-9(14)3-4-16-8(9)7-1-2-7/h7-8H,1-6,14H2
InChIKeyHKZOHLAJGFBCBK-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.46
Rot. Bonds4

About 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine

2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine (PubChem CID 106706463) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine
PubChem CID106706463
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine
SMILESNC1(COCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)6-15-5-9(14)3-4-16-8(9)7-1-2-7/h7-8H,1-6,14H2
InChIKeyHKZOHLAJGFBCBK-UHFFFAOYSA-N
XLogP1.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine?
The IUPAC name of 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine (CID 106706463) is 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine.
What is the SMILES notation for 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine?
The canonical SMILES for 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine is NC1(COCC(F)(F)F)CCOC1C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine?
The InChIKey is HKZOHLAJGFBCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)6-15-5-9(14)3-4-16-8(9)7-1-2-7/h7-8H,1-6,14H2.
What are the key properties of 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine?
2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine has a molecular weight of 239.24 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-amine is sourced from PubChem (CID 106706463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).